4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]-3-oxidanyl-benzoic acid

Systemtic Name: 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]-3-oxidanyl-benzoic acid Openeye Name: 4-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-hydroxy-benzoic acid CAS Name: 3-hydroxy-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-hydroxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]benzoic acid Traditional Name: 4-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-hydroxy-benzoic acid Formula: C14H18N2O6 MolecularWeight: 310.30252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)NC1=C(C=C(C=C1)C(=O)O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)NC1=C(C=C(C=C1)C(=O)O)O

InChI

InChI=1S/C14H18N2O6/c1-14(2,3)22-13(21)15-7-11(18)16-9-5-4-8(12(19)20)6-10(9)17/h4-6,17H,7H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)